Definition of the hydrogen bond (IUPAC Recommendations
                    2011)

Elangannan Arunan; Gautam R. Desiraju; Roger A. Klein; Joanna Sadlej; Steve Scheiner; Ibon Alkorta; David C. Clary; Robert H. Crabtree; Joseph J. Dannenberg; Pavel Hobza; Henrik G. Kjaergaard; Anthony C. Legon; Benedetta Mennucci; David J. Nesbitt

doi:10.1351/PAC-REC-10-01-02

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Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions

Fatmegyul Mustan, Anela Ivanova, Galia Madjarova, Slavka Tcholakova, and Nikolai Denkov

The Journal of Physical Chemistry B, 2015, Volume 119, Number 51, Page 15631

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Arene-Perfluoroarene-Anion Stacking and Hydrogen Bonding Interactions in Imidazolium Salts for the Crystal Engineering of Polarity

Hanan I. Althagbi, Alison J. Edwards, Brian K. Nicholson, Daniel A. Reason, Graham C. Saunders, Sophie A. Sim, and Danielle A. van der Heijden

Crystal Growth & Design, 2016, Volume 16, Number 1, Page 174

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Miriam Jahn and Stephan Gekle

Physical Review E, 2015, Volume 92, Number 5

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Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions

Blakely W. Tresca, Ryan J. Hansen, Calvin V. Chau, Benjamin P. Hay, Lev N. Zakharov, Michael M. Haley, and Darren W. Johnson

Journal of the American Chemical Society, 2015, Volume 137, Number 47, Page 14959

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Exploring the Role of Substitution on the Formation of Se···O/N Noncovalent Bonds

Rahul Shukla and Deepak Chopra

The Journal of Physical Chemistry B, 2015, Volume 119, Number 47, Page 14857

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Periodicity, Electronic Structures, and Bonding of Gold Tetrahalides [AuX4]−(X = F, Cl, Br, I, At, Uus)

Wan-Lu Li, Yong Li, Cong-Qiao Xu, Xue-Bin Wang, Erich Vorpagel, and Jun Li

Inorganic Chemistry, 2015, Volume 54, Number 23, Page 11157

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Structural and Dynamical Properties of a Deep Eutectic Solvent Confined Inside a Slit Pore

Yan Shen, Xiaoxia He, and Francisco R. Hung

The Journal of Physical Chemistry C, 2015, Volume 119, Number 43, Page 24489

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N-octane diffusivity enhancement via carbon dioxide in silica slit-shaped nanopores – a molecular dynamics simulation

Thu Le, Stephanie Ogbe, Alberto Striolo, and David R. Cole

Molecular Simulation, 2016, Volume 42, Number 9, Page 745

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Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching

Avik Kumar Pati, Santosh J. Gharpure, and Ashok K. Mishra

The Journal of Physical Chemistry A, 2015, Volume 119, Number 42, Page 10481

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On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts

I. de Pedro, A. García-Saiz, J. Dupont, P. Migowski, O. Vallcorba, J. Junquera, J. Rius, and J. Rodríguez Fernández

Crystal Growth & Design, 2015, Volume 15, Number 11, Page 5207

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Intramolecular Hydrogen Bonding in Methyl Lactate

Sidsel D. Schrøder, Jens H. Wallberg, Jay A. Kroll, Zeina Maroun, Veronica Vaida, and Henrik G. Kjaergaard

The Journal of Physical Chemistry A, 2015, Volume 119, Number 37, Page 9692

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Atomistic Modeling of Water Thermodynamics and Kinetics within MIL-100(Fe)

Panagiotis D. Kolokathis, Evangelia Pantatosaki, and George K. Papadopoulos

The Journal of Physical Chemistry C, 2015, Volume 119, Number 34, Page 20074

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Comparison of CH···O, SH···O, Chalcogen, and Tetrel Bonds Formed by Neutral and Cationic Sulfur-Containing Compounds

Steve Scheiner

The Journal of Physical Chemistry A, 2015, Volume 119, Number 34, Page 9189

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Hydrogen Bond Formation between the Carotenoid Canthaxanthin and the Silanol Group on MCM-41 Surface

Yunlong Gao, Dayong Xu, and Lowell D. Kispert

The Journal of Physical Chemistry B, 2015, Volume 119, Number 33, Page 10488

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Intra-molecular hydrogen bonding stabilization based-fluorescent chemosensor for CO2: Application to screen relative activities of CO2 absorbents

Seungyoon Kang, Jongseob Kim, Joo-Hyoung Park, Chi Kyu Ahn, Chang-Houn Rhee, and Min Su Han

Dyes and Pigments, 2015, Volume 123, Page 125

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B.A. Zakharov, V.V. Ghazaryan, E.V. Boldyreva, and A.M. Petrosyan

Journal of Molecular Structure, 2015, Volume 1100, Page 255

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Quantitative Analyses of Molecular Surface Electrostatic Potentials in Relation to Hydrogen Bonding and Co-Crystallization

Peter Politzer and Jane S. Murray

Crystal Growth & Design, 2015, Volume 15, Number 8, Page 3767

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The A in SAFT: developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids

Simon Dufal, Thomas Lafitte, Andrew J. Haslam, Amparo Galindo, Gary N.I. Clark, Carlos Vega, and George Jackson

Molecular Physics, 2015, Volume 113, Number 9-10, Page 948

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Symmetry breaking in the axial symmetrical configurations of enolic propanedial, propanedithial, and propanediselenal: pseudo Jahn–Teller effect versus the resonance-assisted hydrogen bond theory

Elahe Jalali and Davood Nori-Shargh

Canadian Journal of Chemistry, 2015, Volume 93, Number 6, Page 673

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Effect of mono- and di-hydration on the stability and tautomerisms of different tautomers of creatinine: A thermodynamic and mechanistic study

Younes Valadbeigi, Vahideh Ilbeigi, and Mahmoud Tabrizchi

Computational and Theoretical Chemistry, 2015, Volume 1061, Page 27

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Barrierless proton transfer across weak CH⋯O hydrogen bonds in dimethyl ether dimer

Bruce L. Yoder, Ksenia B. Bravaya, Andras Bodi, Adam H. C. West, Bálint Sztáray, and Ruth Signorell

The Journal of Chemical Physics, 2015, Volume 142, Number 11, Page 114303

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Facile and green fabrication of biomimetic gelatin–siloxane hybrid hydrogel with highly elastic properties for biomedical applications

Yumeng Xue, Ling Wang, Yongping Shao, Jin Yan, Xiaofeng Chen, and Bo Lei

Chemical Engineering Journal, 2014, Volume 251, Page 158

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The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes

Kasper Mackeprang, Vesa Hänninen, Lauri Halonen, and Henrik G. Kjaergaard

The Journal of Chemical Physics, 2015, Volume 142, Number 9, Page 094304

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[110]

Frequent side chain methyl carbon-oxygen hydrogen bonding in proteins revealed by computational and stereochemical analysis of neutron structures

Joseph D. Yesselman, Scott Horowitz, Charles L. Brooks, and Raymond C. Trievel

Proteins: Structure, Function, and Bioinformatics, 2015, Volume 83, Number 3, Page 403

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Cryogenic ion trap vibrational spectroscopy of hydrogen-bonded clusters relevant to atmospheric chemistry

Nadja Heine and Knut R. Asmis

International Reviews in Physical Chemistry, 2015, Volume 34, Number 1, Page 1

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Crossover in structure and dynamics of a primary alcohol induced by hydrogen-bonds dilution

Leila Hennous, Abdel Razzak Abdel Hamid, Ronan Lefort, Denis Morineau, Patrice Malfreyt, and Aziz Ghoufi

The Journal of Chemical Physics, 2014, Volume 141, Number 20, Page 204503

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Intermolecular Contrast in Atomic Force Microscopy Images without Intermolecular Bonds

Sampsa K. Hämäläinen, Nadine van der Heijden, Joost van der Lit, Stephan den Hartog, Peter Liljeroth, and Ingmar Swart

Physical Review Letters, 2014, Volume 113, Number 18

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[114]

Rotational spectra of propargyl alcohol dimer: A dimer bound with three different types of hydrogen bonds

Devendra Mani and E. Arunan

The Journal of Chemical Physics, 2014, Volume 141, Number 16, Page 164311

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[115]

Atomic energy analysis of cooperativity, anti-cooperativity, and non-cooperativity in small clusters of methanol, water, and formaldehyde

Laura Albrecht and Russell J. Boyd

Computational and Theoretical Chemistry, 2015, Volume 1053, Page 328

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[116]

Impact of structural features of odorant molecules on their retention/release behaviours in dairy and pectin gels

Charfedinne Ayed, Samuel Lubbers, Isabelle Andriot, Yacine Merabtine, Elisabeth Guichard, and Anne Tromelin

Food Research International, 2014, Volume 62, Page 846

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Inorganic Amino-Nitro-Guanidinium Derivatives

Niko Fischer, Thomas M. Klapötke, Karin Lux, Franz A. Martin, and Jörg Stierstorfer

Crystals, 2012, Volume 2, Number 4, Page 675

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[118]

Hydrogen bonding in stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends as studied by molecular dynamics simulations

Chaofu Wu

Molecular Simulation, 2015, Volume 41, Number 7, Page 547

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[119]

Theoretical Study on Stable Small Clusters of Oxalic Acid with Ammonia and Water

Kevin H. Weber, Qian Liu, and Fu-Ming Tao

The Journal of Physical Chemistry A, 2014, Volume 118, Number 8, Page 1451

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[120]

Influence of the nature of hydrogen halides and metal cations on the interaction types between borazine and hydrogen halides

Hongying Zhuo, Qingzhong Li, Xiulin An, Wenzuo Li, and Jianbo Cheng

Journal of Molecular Modeling, 2014, Volume 20, Number 2

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Nature of Brønsted acid-noble atom contacts: A reevaluation of hydrogen bonding criteria

Dawid Gąszowski and Marek Ilczyszyn

International Journal of Quantum Chemistry, 2014, Volume 114, Number 7, Page 473

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[122]

Theoretical and experimental studies of the interactions between Au2− and nucleobases

Guo-Jin Cao, Hong-Guang Xu, Wei-Jun Zheng, and Jun Li

Physical Chemistry Chemical Physics, 2014, Volume 16, Number 7, Page 2928

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A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds

L. Guillaumes, P. Salvador, and S. Simon

The Journal of Physical Chemistry A, 2014, Volume 118, Number 6, Page 1142

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[124]

Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehyde

Luis Miguel Azofra and Steve Scheiner

The Journal of Chemical Physics, 2014, Volume 140, Number 3, Page 034302

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[125]

Quantum mechanical investigations on the role of C-terminal residue in influencing the structural features of dipeptides containing N-terminal proline

Gunajyoti Das and Shilpi Mandal

Journal of Molecular Graphics and Modelling, 2014, Volume 49, Page 1

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[126]

Water's non-tetrahedral side

Richard H. Henchman and Stuart J. Cockram

Faraday Discussions, 2013, Volume 167, Page 529

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[127]

Polymer Complexation by Hydrogen Bonding at the Interface

Shuguang Yang, Songmei Ma, Chunyan Wang, Jian Xu, and Meifang Zhu

Australian Journal of Chemistry, 2014, Volume 67, Number 1, Page 11

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[128]

Investigating hydrogen bonds in liquid ethylene glycol structure by means of molecular dynamics

D. K. Belashchenko, M. N. Rodnikova, N. K. Balabaev, and I. A. Solonina

Russian Journal of Physical Chemistry A, 2014, Volume 88, Number 1, Page 94

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Self-Assembly and Chemical Modifications of Bisphenol A on Cu(111): Interplay Between Ordering and Thermally Activated Stepwise Deprotonation

Sybille Fischer, Anthoula C. Papageorgiou, Julian A. Lloyd, Seung Cheol Oh, Katharina Diller, Francesco Allegretti, Florian Klappenberger, Ari Paavo Seitsonen, Joachim Reichert, and Johannes V. Barth

ACS Nano, 2014, Volume 8, Number 1, Page 207

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A Magnetic Ionic Liquid Based on Tetrachloroferrate Exhibits Three-Dimensional Magnetic Ordering: A Combined Experimental and Theoretical Study of the Magnetic Interaction Mechanism

Abel García-Saiz, Pedro Migowski, Oriol Vallcorba, Javier Junquera, Jesús Angel Blanco, Jesús Antonio González, María Teresa Fernández-Díaz, Jordi Rius, Jairton Dupont, Jesús Rodríguez Fernández, and Imanol de Pedro

Chemistry - A European Journal, 2014, Volume 20, Number 1, Page 72

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[131]

Spectroscopic probe on N–H⋯N, N–H⋯O and controversial C–H⋯O contact in A–T base pair: A DFT study

Venkatesan Srinivasadesikan, Prabhat K. Sahu, and Shyi-Long Lee

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, Volume 120, Page 542

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Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations

Jérôme Graton, François Besseau, Anne-Marie Brossard, Eloïse Charpentier, Arnaud Deroche, and Jean-Yves Le Questel

The Journal of Physical Chemistry A, 2013, Volume 117, Number 49, Page 13184

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[133]

Intermolecular Interaction in the NH3–H2and H2O–H2Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer

Fernando Pirani, David Cappelletti, Leonardo Belpassi, and Francesco Tarantelli

The Journal of Physical Chemistry A, 2013, Volume 117, Number 47, Page 12601

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[134]

Surface Processes on Interstellar Amorphous Solid Water: Adsorption, Diffusion, Tunneling Reactions, and Nuclear-Spin Conversion

Tetsuya Hama and Naoki Watanabe

Chemical Reviews, 2013, Volume 113, Number 12, Page 8783

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[135]

Pressure-Induced Hydrogen Bond Symmetrization in Iron Oxyhydroxide

Weiming Xu, Eran Greenberg, Gregory Kh. Rozenberg, Moshe P. Pasternak, Elena Bykova, Tiziana Boffa-Ballaran, Leonid Dubrovinsky, Vitali Prakapenka, Michael Hanfland, Olga Yu. Vekilova, Sergei I. Simak, and Igor A. Abrikosov

Physical Review Letters, 2013, Volume 111, Number 17

DOI: 10.1103/PhysRevLett.111.175501

[136]

Nucleotide insertion initiated by van der Waals interaction during polymerase beta DNA replication

ANDREW DAS ARULSAMY

Journal of Chemical Sciences, 2013, Volume 125, Number 5, Page 1223

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A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates

Gregory J. Rees, Stephen P. Day, Alberth Lari, Andrew P. Howes, Dinu Iuga, Mateusz B. Pitak, Simon J. Coles, Terry L. Threlfall, Mark E. Light, Mark E. Smith, David Quigley, John D. Wallis, and John V. Hanna

CrystEngComm, 2013, Volume 15, Number 43, Page 8823

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Halogen and Hydrogen Bonded Complexes of 5-Iodouracil

Arto Valkonen, Maryna Chukhlieb, Jani Moilanen, Heikki M. Tuononen, and Kari Rissanen

Crystal Growth & Design, 2013, Volume 13, Number 11, Page 4769

DOI: 10.1021/cg400924n

[139]

NH3–NO Coadsorption System on Pt(111). II. Intermolecular Interaction

Andrea Cepellotti, Angelo Peronio, Stefano Marchini, Nasiba Abdurakhmanova, Carlo Dri, Cristina Africh, Friedrich Esch, Giovanni Comelli, and Maria Peressi

The Journal of Physical Chemistry C, 2013, Volume 117, Number 41, Page 21196

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[140]

Dual Bonding between H2O/H2S and AgCl/CuCl: Cu/Ag Bond, Sister Bond to Au Bond

Guiqiu Zhang, Xingjuan Zhao, and Dezhan Chen

The Journal of Physical Chemistry A, 2013, Volume 117, Number 42, Page 10944

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[141]

Magnitude and Mechanism of Charge Enhancement of CH··O Hydrogen Bonds

Upendra Adhikari and Steve Scheiner

The Journal of Physical Chemistry A, 2013, Volume 117, Number 40, Page 10551

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[142]

The Roles of Dihydrogen Bonds in Amine Borane Chemistry

Xuenian Chen, Ji-Cheng Zhao, and Sheldon G. Shore

Accounts of Chemical Research, 2013, Volume 46, Number 11, Page 2666

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Ion-Pairing of Phosphonium Salts in Solution: CH⋅⋅⋅Halogen and CH⋅⋅⋅π Hydrogen Bonds

Johannes Ammer, Christoph Nolte, Konstantin Karaghiosoff, Sebastian Thallmair, Peter Mayer, Regina de Vivie-Riedle, and Herbert Mayr

Chemistry - A European Journal, 2013, Volume 19, Number 43, Page 14612

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Hydrogen-Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach

José Manuel Guevara-Vela, Rodrigo Chávez-Calvillo, Marco García-Revilla, Jesús Hernández-Trujillo, Ove Christiansen, Evelio Francisco, Ángel Martín Pendás, and Tomás Rocha-Rinza

Chemistry - A European Journal, 2013, Volume 19, Number 42, Page 14304

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The quest for self-consistency in hydrogen bond definitions

Diego Prada-Gracia, Roman Shevchuk, and Francesco Rao

The Journal of Chemical Physics, 2013, Volume 139, Number 8, Page 084501

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Synthesis, Structural Characterisation, and Preliminary Evaluation of Non-Indolin-2-one-based Angiogenesis Inhibitors Related to Sunitinib (Sutent�)

Pichit Sudta, Nicholas Kirk, Anna Bezos, Anthony Gurlica, Rhys Mitchell, Thomas Weber, Anthony C. Willis, Samran Prabpai, Palangpon Kongsaeree, Christopher R. Parish, Sunit Suksamrarn, and Michael J. Kelso

Australian Journal of Chemistry, 2013, Volume 66, Number 8, Page 864

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[147]

The X–C⋯Y (X = O/F, Y = O/S/F/Cl/Br/N/P) ‘carbon bond’ and hydrophobic interactions

Devendra Mani and E. Arunan

Physical Chemistry Chemical Physics, 2013, Volume 15, Number 34, Page 14377

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Halogen–halogen interaction in view of many-body approach

Justyna Dominikowska and Marcin Palusiak

Chemical Physics Letters, 2013, Volume 583, Page 8

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Graphene-Oxide-Stabilized Atomic Ti for H2O2Activation and Propylene Epoxidation: A First-Principle Study

Jia Hu

The Journal of Physical Chemistry C, 2013, Volume 117, Number 31, Page 16005

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[150]

Tracing Hydrogen Bonding Au···H–C at Gold Atoms: A Case Study

Florian Kraus, Hubert Schmidbaur, and Salih S. Al-juaid

Inorganic Chemistry, 2013, Volume 52, Number 16, Page 9669

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How Strong Is Hydrogen Bonding in Ionic Liquids? Combined X-ray Crystallographic, Infrared/Raman Spectroscopic, and Density Functional Theory Study

Sergey A. Katsyuba, Mikhail V. Vener, Elena E. Zvereva, Zhaofu Fei, Rosario Scopelliti, Gabor Laurenczy, Ning Yan, Emilia Paunescu, and Paul J. Dyson

The Journal of Physical Chemistry B, 2013, Volume 117, Number 30, Page 9094

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Are Bond Critical Points Really Critical for Hydrogen Bonding?

Joseph R. Lane, Julia Contreras-García, Jean-Philip Piquemal, Benjamin J. Miller, and Henrik G. Kjaergaard

Journal of Chemical Theory and Computation, 2013, Volume 9, Number 8, Page 3263

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Association ofN-(Pyridin-2-yl),N′-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation

Borys Ośmiałowski, Karina Mroczyńska, Erkki Kolehmainen, Magdalena Kowalska, Arto Valkonen, Marek Pietrzak, and Kari Rissanen

The Journal of Organic Chemistry, 2013, Volume 78, Number 15, Page 7582

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[154]

Identification of non-classical C–H⋯M interactions in early and late transition metal complexes containing the CH(ArO)3 ligand

Matthias Lein, John A. Harrison, and Alastair J. Nielson

Dalton Transactions, 2013, Volume 42, Number 30, Page 10939

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Fe as Hydrogen/Halogen Bond Acceptor in Square Pyramidal Fe(CO)5

P. Aiswaryalakshmi, Devendra Mani, and E. Arunan

Inorganic Chemistry, 2013, Volume 52, Number 15, Page 9153

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Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C–H···O Intramolecular Interactions

Mirosław Jabłoński and Guglielmo Monaco

Journal of Chemical Information and Modeling, 2013, Volume 53, Number 7, Page 1661

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[157]

Structure and dynamics of a complex of cellulose with EDA: insights into the action of amines on cellulose

Daisuke Sawada, Yoshiharu Nishiyama, Loukas Petridis, R. Parthasarathi, S. Gnanakaran, V. Trevor Forsyth, Masahisa Wada, and Paul Langan

Cellulose, 2013, Volume 20, Number 4, Page 1563

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1H NMR spectra of alkane-1,3-diols in benzene: GIAO/DFT shift calculations

John S. Lomas

Magnetic Resonance in Chemistry, 2013, Volume 51, Number 8, Page 469

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[159]

Crystal Engineering: From Molecule to Crystal

Gautam R. Desiraju

Journal of the American Chemical Society, 2013, Volume 135, Number 27, Page 9952

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[160]

First Example of Hydrogen Bonding to Platinum Hydride

Oleg A. Filippov, Vladislava A. Kirkina, Natalia V. Belkova, Sergio Stoccoro, Antonio Zucca, Galina M. Babakhina, Lina M. Epstein, and Elena S. Shubina

Zeitschrift für Physikalische Chemie, 2013, Volume 227, Number 6-7, Page 869

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The temperature dependent structure of liquid 1-propanol as studied by neutron diffraction and EPSR simulations

Per Sillrén, Jan Swenson, Johan Mattsson, Daniel Bowron, and Aleksandar Matic

The Journal of Chemical Physics, 2013, Volume 138, Number 21, Page 214501

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[162]

A quantum chemical view of enthalpy–entropy compensation

Martin Korth

MedChemComm, 2013, Volume 4, Number 6, Page 1025

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Shear Induced Irreversible Gelation through Physical Network Formation

Tahmineh Mahmoudi, Vahid Karimkhani, Gwang Seok Song, Dai Soo Lee, and Florian J. Stadler

Macromolecules, 2013, Volume 46, Number 10, Page 4141

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Dihydrogen bond and X-H…σ interaction as sub-classes of hydrogen bond

Sławomir J. Grabowski

Journal of Physical Organic Chemistry, 2013, Volume 26, Number 6, Page 452

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Evaluating the COSMO-RS Method for Modeling Hydrogen Bonding in Solution

Sofja Tshepelevitsh, Merit Oss, Astrid Pung, and Ivo Leito

ChemPhysChem, 2013, Volume 14, Number 9, Page 1909

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Enabling Nucleophilic Substitution Reactions of Activated Alkyl Fluorides through Hydrogen Bonding

Pier Alexandre Champagne, Julien Pomarole, Marie-Ève Thérien, Yasmine Benhassine, Samuel Beaulieu, Claude Y. Legault, and Jean-François Paquin

Organic Letters, 2013, Volume 15, Number 9, Page 2210

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Hydrogen-bonded complexes of serotonin with methanol and ethanol: a DFT study

A. Mano Priya, L. Senthilkumar, and P. Kolandaivel

Structural Chemistry, 2014, Volume 25, Number 1, Page 139

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Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations

João M. M. Araújo, Ana B. Pereiro, José N. Canongia Lopes, Luís P. N. Rebelo, and Isabel M. Marrucho

The Journal of Physical Chemistry B, 2013, Volume 117, Number 15, Page 4109

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Probing Hydrogen Bond Energies by Mass Spectrometry

Hai-Feng Su, Lan Xue, Yun-Hua Li, Shui-Chao Lin, Yi-Mei Wen, Rong-Bin Huang, Su-Yuan Xie, and Lan-Sun Zheng

Journal of the American Chemical Society, 2013, Volume 135, Number 16, Page 6122

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A conserved threonine spring-loads precursor for intein splicing

Albert K. Dearden, Brian Callahan, Patrick Van Roey, Zhong Li, Utsav Kumar, Marlene Belfort, and Saroj K. Nayak

Protein Science, 2013, Volume 22, Number 5, Page 557

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[171]

An Interplay of Cooperativity between Cation⋅⋅⋅π, Anion⋅⋅⋅π and CH⋅⋅⋅Anion Interactions

Tarun K. Mandal, Siddhartha Samanta, Sourav Chakraborty, and Ayan Datta

ChemPhysChem, 2013, Volume 14, Number 6, Page 1149

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Raman scattering and DFT calculations used for analyzing the structural features of DMSO in water and methanol

Shweta Singh, Sunil K. Srivastava, and Dheeraj K. Singh

RSC Advances, 2013, Volume 3, Number 13, Page 4381

DOI: 10.1039/c3ra22730h

[173]

Steering On-Surface Self-Assembly of High-Quality Hydrocarbon Networks with Terminal Alkynes

Nenad Kepčija, Yi-Qi Zhang, Martin Kleinschrodt, Jonas Björk, Svetlana Klyatskaya, Florian Klappenberger, Mario Ruben, and Johannes V. Barth

The Journal of Physical Chemistry C, 2013, Volume 117, Number 8, Page 3987

DOI: 10.1021/jp310606r

[174]

C–H···Y Hydrogen Bonds in the Complexes ofp-Cresol andp-Cyanophenol with Fluoroform and Chloroform

Pranav R. Shirhatti, Dilip K. Maity, and Sanjay Wategaonkar

The Journal of Physical Chemistry A, 2013, Volume 117, Number 11, Page 2307

DOI: 10.1021/jp311596x

[175]

[Pd(Fmes)2(tmeda)]: A Case of Intermittent CH⋅⋅⋅FC Hydrogen-Bond Interaction in Solution

Camino Bartolomé, Fernando Villafañe, Jose M. Martín-Alvarez, Jesús M. Martínez-Ilarduya, and Pablo Espinet

Chemistry - A European Journal, 2013, Volume 19, Number 11, Page 3702

DOI: 10.1002/chem.201203512

[176]

Characterizing Crystal Disorder of Trospium Chloride: A Comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD Study

Martina Urbanova, Adriana Sturcova, Jiri Brus, Hynek Benes, Eliska Skorepova, Bohumil Kratochvil, Jan Cejka, Ivana Sedenkova, Libor Kobera, Olivia Policianova, and Antonin Sturc

Journal of Pharmaceutical Sciences, 2013, Volume 102, Number 4, Page 1235

DOI: 10.1002/jps.23457

[177]

Hydrogen bonding: Homing in on a tricky chemical concept

Paul Needham

Studies in History and Philosophy of Science Part A, 2013, Volume 44, Number 1, Page 51

DOI: 10.1016/j.shpsa.2012.04.001

[178]

1H NMR spectra of ethane-1,2-diol and other vicinal diols in benzene: GIAO/DFT shift calculations

John S. Lomas

Magnetic Resonance in Chemistry, 2013, Volume 51, Number 1, Page 32

DOI: 10.1002/mrc.3899

[179]

Lotta Berg, Moritz S. Niemiec, Weixing Qian, C. David Andersson, Pernilla Wittung-Stafshede, Fredrik Ekström, and Anna Linusson

Angewandte Chemie, 2012, Volume 124, Number 51, Page 12888

DOI: 10.1002/ange.201205113

[180]

Lotta Berg, Moritz S. Niemiec, Weixing Qian, C. David Andersson, Pernilla Wittung-Stafshede, Fredrik Ekström, and Anna Linusson

Angewandte Chemie International Edition, 2012, Volume 51, Number 51, Page 12716

DOI: 10.1002/anie.201205113

[181]

Anomalous Swelling of Polymer Monolayers by Water Vapor

Michal Wagman, Shlomi Medalion, and Yitzhak Rabin

Macromolecules, 2012, Volume 45, Number 23, Page 9517

DOI: 10.1021/ma3018553

[182]

Coordination Chemistry and Reactivity of a Cupric Hydroperoxide Species Featuring a Proximal H-Bonding Substituent

Sunghee Kim, Claudio Saracini, Maxime A. Siegler, Natalia Drichko, and Kenneth D. Karlin

Inorganic Chemistry, 2012, Volume 51, Number 23, Page 12603

DOI: 10.1021/ic302071e

[183]

Odd–Even and Hydrophobicity Effects of Diacetylene Alkyl Chains on Thermochromic Reversibility of Symmetrical and Unsymmetrical Diyndiamide Polydiacetylenes

Sasikarn Ampornpun, Suriyakamon Montha, Gamolwan Tumcharern, Viwat Vchirawongkwin, Mongkol Sukwattanasinitt, and Sumrit Wacharasindhu

Macromolecules, 2012, Volume 45, Number 22, Page 9038

DOI: 10.1021/ma3019798

[184]

Insights into the ultraviolet spectrum of liquid water from model calculations: The different roles of donor and acceptor hydrogen bonds in water pentamers

Paulo Cabral do Couto and Daniel M. Chipman

The Journal of Chemical Physics, 2012, Volume 137, Number 18, Page 184301

DOI: 10.1063/1.4764044

[185]

Diamond–Water Coupling Effects in Raman and Photoluminescence Spectra of Nanodiamond Colloidal Suspensions

Tatiana A. Dolenko, Sergey A. Burikov, Jessica M. Rosenholm, Olga A. Shenderova, and Igor I. Vlasov

The Journal of Physical Chemistry C, 2012, Volume 116, Number 45, Page 24314

DOI: 10.1021/jp306803n

[186]

Nature of the attractive interaction between proton acceptors and organic ring systems

Emmanuel Arras, Ari Paavo Seitsonen, Florian Klappenberger, and Johannes V. Barth

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 46, Page 15995

DOI: 10.1039/c2cp42293j

[187]

Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds

Steve Scheiner

International Journal of Quantum Chemistry, 2013, Volume 113, Number 11, Page 1609

DOI: 10.1002/qua.24357

[188]

Does Fluoromethane Form a Hydrogen Bond with Water?

Robert E. Rosenberg

The Journal of Physical Chemistry A, 2012, Volume 116, Number 44, Page 10842

DOI: 10.1021/jp308533b

[189]

Molecular recognition between DNA and a copper-based anticancer complex

Rodrigo Galindo-Murillo, Lena Ruíz-Azuara, Rafael Moreno-Esparza, and Fernando Cortés-Guzmán

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 44, Page 15539

DOI: 10.1039/c2cp42185b

[190]

Can a Single Molecule of Water be Completely Isolated Within the Subnano-Space Inside the Fullerene C60Cage? A Quantum Chemical Prospective

Arpita Varadwaj and Pradeep R. Varadwaj

Chemistry - A European Journal, 2012, Volume 18, Number 48, Page 15345

DOI: 10.1002/chem.201200969

[191]

Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

Łukasz Walewski, Artur Smaga, Bogdan Lesyng, and Joanna Sadlej

The Journal of Physical Chemistry A, 2012, Volume 116, Number 42, Page 10412

DOI: 10.1021/jp3054636

[192]

Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conformation

Aku Suhonen, Elisa Nauha, Kirsi Salorinne, Kaisa Helttunen, and Maija Nissinen

CrystEngComm, 2012, Volume 14, Number 21, Page 7398

DOI: 10.1039/c2ce25981h

[193]

Influence of cooperativity on the frequency shift of the Ar–H stretch vibration in HArF complexes

Xiaofeng Liu, Qingzhong Li, Jianbo Cheng, and Wenzuo Li

Molecular Physics, 2013, Volume 111, Number 4, Page 497

DOI: 10.1080/00268976.2012.728639

[194]

Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)

Alvaro S. de Sousa, Denzel Sannasy, Manuel A. Fernandes, and Helder M. Marques

Acta Crystallographica Section C Crystal Structure Communications, 2012, Volume 68, Number 10, Page o383

DOI: 10.1107/S0108270112037195

[195]

Understanding the Forces That Govern Packing: A Density Functional Theory and Structural Investigation of Anion−π–Anion and Nonclassical C–H···Anion Interactions

Sally Brooker, Nicholas G. White, Antonio Bauzá, Pere M. Deyà, and Antonio Frontera

Inorganic Chemistry, 2012, Volume 51, Number 19, Page 10334

DOI: 10.1021/ic3014688

[196]

Hydrogen bonds in galactopyranoside and glucopyranoside: a density functional theory study

Zahrabatoul Mosapour Kotena, Reza Behjatmanesh-Ardakani, Rauzah Hashim, and Vijayan Manickam Achari

Journal of Molecular Modeling, 2013, Volume 19, Number 2, Page 589

DOI: 10.1007/s00894-012-1576-z

[197]

Thermal reactivities of non-reducing sugars in polyether—Role of intermolecular hydrogen bonding in pyrolysis

Haruo Kawamoto, Yoshiki Ueno, and Shiro Saka

Journal of Analytical and Applied Pyrolysis, 2013, Volume 103, Page 287

DOI: 10.1016/j.jaap.2012.08.009

[198]

The nature of hydrogen bonds and conjugation in H-bonded systems

Yu. V. Novakovskaya

Russian Journal of Physical Chemistry A, 2012, Volume 86, Number 9, Page 1385

DOI: 10.1134/S0036024412090087

[199]

N-H…X (X = F, Cl, Br, and I) hydrogen bonding in aromatic amide derivatives in crystal structures

DongYun Wang, JiLiang Wang, DanWei Zhang, and ZhanTing Li

Science China Chemistry, 2012, Volume 55, Number 10, Page 2018

DOI: 10.1007/s11426-012-4716-5

[200]

Aromatic Amide Foldamers: Structures, Properties, and Functions

Dan-Wei Zhang, Xin Zhao, Jun-Li Hou, and Zhan-Ting Li

Chemical Reviews, 2012, Volume 112, Number 10, Page 5271

DOI: 10.1021/cr300116k

[201]

Directionality of Inter- and Intramolecular OHO Hydrogen Bonds: DFT Study Followed by AIM and NBO Analysis

Irena Majerz

The Journal of Physical Chemistry A, 2012, Volume 116, Number 30, Page 7992

DOI: 10.1021/jp300942n

[202]

Revealing Charge-Transfer Effects in Gas-Phase Water Chemistry

David Cappelletti, Enrico Ronca, Leonardo Belpassi, Francesco Tarantelli, and Fernando Pirani

Accounts of Chemical Research, 2012, Volume 45, Number 9, Page 1571

DOI: 10.1021/ar3000635

[203]

Aminoguanidinium and Diaminoguanidinium As Adaptive Cationic Building Blocks in Guanidinium–Organosulfonatecrystalline Superstructures

Dan Dumitrescu, Yves-Marie Legrand, Florea Dumitrascu, Mihail Barboiu, and Arie van der Lee

Crystal Growth & Design, 2012, Volume 12, Number 8, Page 4258

DOI: 10.1021/cg300756g

[204]

Compressed-liquid densities of two highly polar+non-polar binary systems

Stephanie L. Outcalt and Arno Laesecke

Journal of Molecular Liquids, 2012, Volume 173, Page 91

DOI: 10.1016/j.molliq.2012.06.014

[205]

Inverse hydrogen bond: theoretical investigation on the nature of interaction and spectroscopic properties

Agnieszka Ilnicka and Joanna Sadlej

Structural Chemistry, 2012, Volume 23, Number 5, Page 1323

DOI: 10.1007/s11224-012-0063-6

[206]

Directionality of Dihydrogen Bonds: The Role of Transition Metal Atoms

Oleg A. Filippov, Natalia V. Belkova, Lina M. Epstein, Agusti Lledos, and Elena S. Shubina

ChemPhysChem, 2012, Volume 13, Number 11, Page 2677

DOI: 10.1002/cphc.201200097

[207]

Molecular structure and hydrogen bonding in 1,2-diaminopropane and 1,3-diaminopropane and their binary mixtures with water studied by NIR spectroscopy and DFT calculations

Mirosław Antoni Czarnecki

Vibrational Spectroscopy, 2012, Volume 62, Page 207

DOI: 10.1016/j.vibspec.2012.05.008

[208]

Identification of the dimethylamine-trimethylamine complex in the gas phase

Lin Du, Joseph R. Lane, and Henrik G. Kjaergaard

The Journal of Chemical Physics, 2012, Volume 136, Number 18, Page 184305

DOI: 10.1063/1.4707707

[209]

Hydrogen-Bonding Networks from First-Principles: Exploring the Guanidine Crystal

Veronika Hoepfner, Volker L. Deringer, and Richard Dronskowski

The Journal of Physical Chemistry A, 2012, Volume 116, Number 18, Page 4551

DOI: 10.1021/jp2106132

[210]

Conjugation in hydrogen-bonded systems

Yulia V. Novakovskaya

Structural Chemistry, 2012, Volume 23, Number 4, Page 1253

DOI: 10.1007/s11224-012-0029-8

[211]

Bioinformatics and variability in drug response: a protein structural perspective

J. L. Lahti, G. W. Tang, E. Capriotti, T. Liu, and R. B. Altman

Journal of The Royal Society Interface, 2012, Volume 9, Number 72, Page 1409

DOI: 10.1098/rsif.2011.0843

[212]

Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomolecules

Tymofii Yu. Nikolaienko, Leonid A. Bulavin, and Dmytro M. Hovorun

Physical Chemistry Chemical Physics, 2012, Volume 14, Number 20, Page 7441

DOI: 10.1039/c2cp40176b

[213]

Towards a broadband chirped pulse Fourier transform microwave spectrometer

D. Mani, V. T. Bhat, K. J. Vinoy, and E. Arunan

Indian Journal of Physics, 2012, Volume 86, Number 3, Page 225

DOI: 10.1007/s12648-012-0043-0

[214]

Ab initio studies of some hydrogen-bonded complexes of fluoroform – Evidence for blue-shifted behaviour

Ponnadurai Ramasami and Thomas A. Ford

Journal of Molecular Structure, 2012, Volume 1023, Page 163

DOI: 10.1016/j.molstruc.2012.04.001

[215]

Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions

Shu-Jian Chen, Brenda A. Dougan, Xue-Tai Chen, and Zi-Ling Xue

Organometallics, 2012, Volume 31, Number 8, Page 3443

DOI: 10.1021/om300097a

[216]

Communication: Competition between π⋯π interaction and halogen bond in solution: A combined 13C NMR and density functional theory study

Yu Zhang, Baoming Ji, Anmin Tian, and Weizhou Wang

The Journal of Chemical Physics, 2012, Volume 136, Number 14, Page 141101

DOI: 10.1063/1.3701155

[217]

A diabatic state model for donor-hydrogen vibrational frequency shifts in hydrogen bonded complexes

Ross H. McKenzie

Chemical Physics Letters, 2012, Volume 535, Page 196

DOI: 10.1016/j.cplett.2012.03.064

[218]

Substituent Effects on Cl···N, S···N, and P···N Noncovalent Bonds

Upendra Adhikari and Steve Scheiner

The Journal of Physical Chemistry A, 2012, Volume 116, Number 13, Page 3487

DOI: 10.1021/jp301288e

[219]

DimethylDL-2,3-dibenzyl-2,3-diisothiocyanatosuccinate

Justyna Kalinowska-Tłuścik, Dariusz Cież, and Sandrine Peyrat

Acta Crystallographica Section E Structure Reports Online, 2012, Volume 68, Number 4, Page o1025

DOI: 10.1107/S1600536812009294

[220]

Probing acid–amide intermolecular hydrogen bonding by NMR spectroscopy and DFT calculations

Sachin Rama Chaudhari and N. Suryaprakash

Journal of Molecular Structure, 2012, Volume 1016, Page 163

DOI: 10.1016/j.molstruc.2012.02.058

[221]

Electron Density Characteristics in Bond Critical Point (QTAIM) versus Interaction Energy Components (SAPT): The Case of Charge-Assisted Hydrogen Bonding

Barbara Bankiewicz, Piotr Matczak, and Marcin Palusiak

The Journal of Physical Chemistry A, 2012, Volume 116, Number 1, Page 452

DOI: 10.1021/jp210940b

[222]

Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations

Guo-Jin Cao, Hong-Guang Xu, Ren-Zhong Li, and Weijun Zheng

The Journal of Chemical Physics, 2012, Volume 136, Number 1, Page 014305

DOI: 10.1063/1.3671945

[223]

Theoretical study of the HXYH dimers (X, Y = O, S, Se). Hydrogen bonding and chalcogen–chalcogen interactions

Goar Sánchez-Sanz, Ibon Alkorta, and José Elguero

Molecular Physics, 2011, Volume 109, Number 21, Page 2543

DOI: 10.1080/00268976.2011.621458

[224]

Quantum mechanical studies of lincosamides

Katarzyna Kulczycka-Mierzejewska, Joanna Trylska, and Joanna Sadlej

Journal of Molecular Modeling, 2012, Volume 18, Number 6, Page 2727

DOI: 10.1007/s00894-011-1272-4

[225]

Basis set convergence of the coupled-cluster correction, δMP2CCSD(T): Best practices for benchmarking non-covalent interactions and the attendant revision of the S22, NBC10, HBC6, and HSG databases

Michael S. Marshall, Lori A. Burns, and C. David Sherrill

The Journal of Chemical Physics, 2011, Volume 135, Number 19, Page 194102

DOI: 10.1063/1.3659142

[226]

Molecular-beam study of the ammonia–noble gas systems: Characterization of the isotropic interaction and insights into the nature of the intermolecular potential

Fernando Pirani, Luiz F. Roncaratti, Leonardo Belpassi, Francesco Tarantelli, and D. Cappelletti

The Journal of Chemical Physics, 2011, Volume 135, Number 19, Page 194301

DOI: 10.1063/1.3660199

[227]

Crystal packing and melting temperatures of small oxalate esters: the role of C—H...O hydrogen bonding

Sumy Joseph, Ranganathan Sathishkumar, Sudarshan Mahapatra, and Gautam R. Desiraju

Acta Crystallographica Section B Structural Science, 2011, Volume 67, Number 6, Page 525

DOI: 10.1107/S0108768111037487

[228]

Comparison of P⋯D (D = P,N) with other noncovalent bonds in molecular aggregates

Upendra Adhikari and Steve Scheiner

The Journal of Chemical Physics, 2011, Volume 135, Number 18, Page 184306

DOI: 10.1063/1.3660355

[229]

Polymorphism and Desmotropy in Heterocyclic Crystal Structures

José Elguero

Crystal Growth & Design, 2011, Volume 11, Number 11, Page 4731

DOI: 10.1021/cg200970t

[230]

Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction

Steve Scheiner and Upendra Adhikari

The Journal of Physical Chemistry A, 2011, Volume 115, Number 40, Page 11101

DOI: 10.1021/jp2082787

[231]

Halogen Bond Involving Hypervalent Halogen: CSD Search and Theoretical Study

Weizhou Wang

The Journal of Physical Chemistry A, 2011, Volume 115, Number 33, Page 9294

DOI: 10.1021/jp204744m

[232]

Microwave spectroscopic and theoretical studies on the phenylacetylene⋯H2O complex: C–H⋯O and O–H⋯π hydrogen bonds as equal partners

Mausumi Goswami and E. Arunan

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 14153

DOI: 10.1039/c1cp20690g

[233]

Infrared and microwave spectra of the acetylene–ammonia and carbonyl sulfide–ammonia complexes: a comparative study of a weak C–H⋯N hydrogen bond and an S⋯N bond

Xunchen Liu and Yunjie Xu

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 14235

DOI: 10.1039/c1cp21554j

[234]

Weak hydrogen bonds – strong effects?

W. A. Herrebout and M. A. Suhm

Physical Chemistry Chemical Physics, 2011, Volume 13, Number 31, Page 13858

DOI: 10.1039/c1cp90110a

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